UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(8-azaspiro[4.5]decan-8-ylmethyl)-4-(chloromethyl)thiazole 2-(8-azaspiro[4.5]decan-8-ylmeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.10 9.01 -36.75 1 2 1 17 285.864 3 ↓
Mid Mid (pH 6-8) 3.10 6.74 -4.53 0 2 0 16 284.856 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-(8-azaspiro[4.5]decan-8-yl)ethyl]-4-(chloromethyl)thiazole 2-[(1S)-1-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 9.32 -35.64 1 2 1 17 299.891 3 ↓
Mid Mid (pH 6-8) 3.66 7.12 -4.1 0 2 0 16 298.883 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-(8-azaspiro[4.5]decan-8-yl)ethyl]-4-(chloromethyl)thiazole 2-[(1R)-1-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 9.31 -35.05 1 2 1 17 299.891 3 ↓
Mid Mid (pH 6-8) 3.66 7.1 -4.38 0 2 0 16 298.883 3 ↓

Analogs

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Popular Name: 2-[(1S)-1-(8-azaspiro[4.5]decan-8-yl)propyl]-4-(chloromethyl)thiazole 2-[(1S)-1-(8-azaspiro[4.5]decan-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.17 9.93 -36.06 1 2 1 17 313.918 4 ↓
Mid Mid (pH 6-8) 4.17 7.82 -3.71 0 2 0 16 312.91 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-(8-azaspiro[4.5]decan-8-yl)propyl]-4-(chloromethyl)thiazole 2-[(1R)-1-(8-azaspiro[4.5]decan-…

Find On: PubMed — Wikipedia — Google

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.17 9.93 -35.31 1 2 1 17 313.918 4 ↓
Mid Mid (pH 6-8) 4.17 7.81 -3.94 0 2 0 16 312.91 4 ↓

Parameters Provided:

ring.id = 318672
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 318672 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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